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2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline

2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline

CAS: 886365-74-8

Formula: C9H8ClN3O

SMILES: NC1=CC=CC=C1C1=NOC(CCl)=N1

IUPAC: 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline

InChI: InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5,11H2

Composition: C (51.57%), H (3.85%), Cl (16.91%), N (20.05%), O (7.63%)

Molar Mass: 209.63

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.0355896
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KFBPWVGVJYBSGY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.98
Topological Polar Surface Area 64.94
Polarizability 20.55
Ring Count 2
Rotatable Bond Count 2

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